N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide

C17H26N2O4 — CID 119811606

IUPACN-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C1COCCN1
InChIInChI=1S/C17H26N2O4/c1-13-4-5-14(16(10-13)23-8-3-7-21-2)11-19-17(20)15-12-22-9-6-18-15/h4-5,10,15,18H,3,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyXMROMFQMLZPNJS-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.01
Rot. Bonds8

About N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide

N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide (PubChem CID 119811606) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
PubChem CID119811606
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC NameN-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
SMILESCOCCCOc1cc(C)ccc1CNC(=O)C1COCCN1
InChIInChI=1S/C17H26N2O4/c1-13-4-5-14(16(10-13)23-8-3-7-21-2)11-19-17(20)15-12-22-9-6-18-15/h4-5,10,15,18H,3,6-9,11-12H2,1-2H3,(H,19,20)
InChIKeyXMROMFQMLZPNJS-UHFFFAOYSA-N
XLogP1.01
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-[[2-(3-methylbutoxy)phenyl]methyl]morpholine-3-carboxamide
CID 124682602
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119339585
N-[[2-(3-methylphenoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119777833
N-[[4-(2-methoxyethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 119723243
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
N-[(4-methyl-2-pentoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119339535
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]morpholine-3-carboxamide
CID 119771820
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-3-carboxamide
CID 119707515
(3S)-N-(2-methoxyethyl)morpholine-3-carboxamide
CID 96998631
N-[(3-chloro-4-methoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119808070
N-[(3-methoxy-4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119747493
N-[(2,3-dimethoxyphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119708865

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide?
The IUPAC name of N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide (CID 119811606) is N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide is COCCCOc1cc(C)ccc1CNC(=O)C1COCCN1.
What is the InChIKey of N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide?
The InChIKey is XMROMFQMLZPNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-4-5-14(16(10-13)23-8-3-7-21-2)11-19-17(20)15-12-22-9-6-18-15/h4-5,10,15,18H,3,6-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide?
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 119811606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).